2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H21N3O3S — CID 106729433

IUPAC2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCCS(=O)(=O)CCN1CC2CNCCN2C1=O
InChIInChI=1S/C11H21N3O3S/c1-2-6-18(16,17)7-5-13-9-10-8-12-3-4-14(10)11(13)15/h10,12H,2-9H2,1H3
InChIKeyLTYSTKDGNMGKDV-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.48
Rot. Bonds5

About 2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 106729433) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID106729433
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCCS(=O)(=O)CCN1CC2CNCCN2C1=O
InChIInChI=1S/C11H21N3O3S/c1-2-6-18(16,17)7-5-13-9-10-8-12-3-4-14(10)11(13)15/h10,12H,2-9H2,1H3
InChIKeyLTYSTKDGNMGKDV-UHFFFAOYSA-N
XLogP-0.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pentyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091777
2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092085
(8aS)-2-(4-hydroxy-3,3-dimethylbutyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137382689
2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 86811793
2-[(4-ethylphenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092227
2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091374
2-nonyl-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 80725764
2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82906966
2-[2-(2-methoxyphenoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095390
2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 54775508
2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107052736
2-[(1-methylpyrazol-3-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82875976

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 106729433) is 2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCCS(=O)(=O)CCN1CC2CNCCN2C1=O.
What is the InChIKey of 2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is LTYSTKDGNMGKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-2-6-18(16,17)7-5-13-9-10-8-12-3-4-14(10)11(13)15/h10,12H,2-9H2,1H3.
What are the key properties of 2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 275.37 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 106729433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).